>compound L-Carnitine_L-Carnitine
#instrument UPLC Q-Tof Premier, Waters
>formula C7H15NO3
#smiles [O-1]C(=O)C[C@H](O)C[N+1](C)(C)C
#RECORD LC-ESI-QTOF_train_data/PR100159.txt;LC-ESI-QTOF_train_data/PR100160.txt;LC-ESI-QTOF_train_data/PR100320.txt
>charge 1
>ionization [M+H]+
>parentmass 162.11299

>collision 5-60
60.0828 376.1
85.0305 749.7
102.0939 592.3
103.0411 1369.0
162.113 2908.0

>collision 30
57.0337 6.098
58.0661 49.79
59.0737 16.7
60.0819 46.17
61.0322 3.4
85.0287 116.7
102.0911 81.25
103.0393 47.3
162.113 3.289

>collision 5-60
60.0829 354.0
85.0306 693.7
102.0938 526.1
103.0412 1261.0
162.113 2661.0

